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2-[(1H-Benzimidazol-2-ylmethyl)sulfanyl]-4,6-dimethylnicotinonitrile
SpectraBase Compound ID DFELkpM5QY1
InChI InChI=1S/C16H14N4S/c1-10-7-11(2)18-16(12(10)8-17)21-9-15-19-13-5-3-4-6-14(13)20-15/h3-7H,9H2,1-2H3,(H,19,20)
InChIKey WPJVQVKEGZOOOJ-UHFFFAOYSA-N
Mol Weight 294.38 g/mol
Molecular Formula C16H14N4S
Exact Mass 294.093918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eqk2aOdDbDz
Name 3-pyridinecarbonitrile, 2-[(1H-benzimidazol-2-ylmethyl)thio]-4,6-dimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.093917641 u
Formula C16H14N4S
InChI InChI=1S/C16H14N4S/c1-10-7-11(2)18-16(12(10)8-17)21-9-15-19-13-5-3-4-6-14(13)20-15/h3-7H,9H2,1-2H3,(H,19,20)
InChIKey WPJVQVKEGZOOOJ-UHFFFAOYSA-N
Molecular Weight 294.376 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11911
Solvent DMSO-d6
Source Vendor ID: NMR/10270197; Lab Info: KE; Lab Number: KE-0000069